smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000054504751 214240595 /nfs/dbraw/zinc/24/05/95/214240595.db2.gz GSBRPYOOZYWIIV-SNVBAGLBSA-N -2 3 334.737 1.390 20 5 EDBDHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCO1 ZINC000414328343 304106687 /nfs/dbraw/zinc/10/66/87/304106687.db2.gz ZXNYPYIJRXDNJJ-WCBMZHEXSA-N -2 3 344.345 1.139 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000275097563 201276792 /nfs/dbraw/zinc/27/67/92/201276792.db2.gz PZQSSHKQIOIFAL-NSHDSACASA-N -2 3 346.361 1.381 20 5 EDBDHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275072869 268275480 /nfs/dbraw/zinc/27/54/80/268275480.db2.gz WYQDOADRZDKQKA-LLVKDONJSA-N -2 3 348.352 1.902 20 5 EDBDHL CSCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275025000 443618222 /nfs/dbraw/zinc/61/82/22/443618222.db2.gz DVARQKKUIAKTER-VIFPVBQESA-N -2 3 348.402 1.388 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000399330593 447562813 /nfs/dbraw/zinc/56/28/13/447562813.db2.gz UWQYPAXXVZCBPJ-LLVKDONJSA-N -2 3 328.346 1.435 20 5 EDBDHL O=C([N-]c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c[nH]nc1[N+](=O)[O-] ZINC000788307821 580716928 /nfs/dbraw/zinc/71/69/28/580716928.db2.gz HHWDQWPBVNRNHN-UHFFFAOYSA-N -2 3 327.640 1.837 20 5 EDBDHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070199967 202317408 /nfs/dbraw/zinc/31/74/08/202317408.db2.gz VWZHXKDHQOKWJD-UHFFFAOYSA-N -2 3 336.753 1.781 20 5 EDBDHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000297353312 201353243 /nfs/dbraw/zinc/35/32/43/201353243.db2.gz ZIXSISLVEMUCQA-VIFPVBQESA-N -2 3 346.361 1.525 20 5 EDBDHL CCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000261734917 139221753 /nfs/dbraw/zinc/22/17/53/139221753.db2.gz RPJZJCLWQZKQSG-VIFPVBQESA-N -2 3 332.334 1.135 20 5 EDBDHL CS[C@@H](C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000569977685 306527463 /nfs/dbraw/zinc/52/74/63/306527463.db2.gz OMCCTFIYQOKNGZ-ZETCQYMHSA-N -2 3 334.375 1.323 20 5 EDBDHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000515428996 448311333 /nfs/dbraw/zinc/31/13/33/448311333.db2.gz VYGGOSAXTKIIQL-JTQLQIEISA-N -2 3 330.362 1.682 20 5 EDBDHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000515428997 448312035 /nfs/dbraw/zinc/31/20/35/448312035.db2.gz VYGGOSAXTKIIQL-SNVBAGLBSA-N -2 3 330.362 1.682 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000591743577 448479012 /nfs/dbraw/zinc/47/90/12/448479012.db2.gz JTJOSOWHFHBEME-GWCFXTLKSA-N -2 3 344.389 1.927 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000593274224 449201663 /nfs/dbraw/zinc/20/16/63/449201663.db2.gz QZUVDAJEFHIUQT-VIFPVBQESA-N -2 3 328.346 1.435 20 5 EDBDHL O=C([O-])[C@H](Cc1ccccc1[N+](=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000616328749 450391139 /nfs/dbraw/zinc/39/11/39/450391139.db2.gz YGQWWLOLSBQPCH-JTQLQIEISA-N -2 3 340.313 1.162 20 5 EDBDHL Cc1[n-]ncc1S(=O)(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000738248960 579177509 /nfs/dbraw/zinc/17/75/09/579177509.db2.gz KJMVDXNYYBDVSC-UHFFFAOYSA-N -2 3 327.274 1.092 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)C(=O)[O-])c1C ZINC000830427183 594393933 /nfs/dbraw/zinc/39/39/33/594393933.db2.gz FFPXHSCNYIGCFC-UHFFFAOYSA-N -2 3 331.350 1.100 20 5 EDBDHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000832489056 594753981 /nfs/dbraw/zinc/75/39/81/594753981.db2.gz BWNMUHQXMYLLGV-NXEZZACHSA-N -2 3 343.361 1.309 20 5 EDBDHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000834155970 595033275 /nfs/dbraw/zinc/03/32/75/595033275.db2.gz SEVIGSAGAGVXQR-UHFFFAOYSA-N -2 3 347.324 1.203 20 5 EDBDHL CS[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000565062249 306374037 /nfs/dbraw/zinc/37/40/37/306374037.db2.gz ZPTDYYMDUPZWLL-SSDOTTSWSA-N -2 3 334.375 1.323 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1 ZINC000414326140 304106450 /nfs/dbraw/zinc/10/64/50/304106450.db2.gz XWYWPNSFOIEUMV-JTQLQIEISA-N -2 3 340.357 1.928 20 5 EDBDHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccon1 ZINC000355411852 150258308 /nfs/dbraw/zinc/25/83/08/150258308.db2.gz RBPWXFQXFNXXSG-ZETCQYMHSA-N -2 3 341.301 1.321 20 5 EDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000121120520 442179740 /nfs/dbraw/zinc/17/97/40/442179740.db2.gz DYLKCXKBPOVDIB-UHFFFAOYSA-N -2 3 346.328 1.576 20 5 EDBDHL O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000121120520 442179743 /nfs/dbraw/zinc/17/97/43/442179743.db2.gz DYLKCXKBPOVDIB-UHFFFAOYSA-N -2 3 346.328 1.576 20 5 EDBDHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(F)F ZINC000580956888 322117487 /nfs/dbraw/zinc/11/74/87/322117487.db2.gz DPXFFBPMHCXOMX-MRVPVSSYSA-N -2 3 338.288 1.615 20 5 EDBDHL O=c1nc(C=Cc2cn(-c3ccccc3)nn2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000806562784 593457667 /nfs/dbraw/zinc/45/76/67/593457667.db2.gz MPNJPDQGSFZAPP-VOTSOKGWSA-N -2 3 326.272 1.547 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000261723278 139220451 /nfs/dbraw/zinc/22/04/51/139220451.db2.gz MDELTJOXEOSAPN-SNVBAGLBSA-N -2 3 346.361 1.381 20 5 EDBDHL CC[C@@](C)(C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000571017318 306556184 /nfs/dbraw/zinc/55/61/84/306556184.db2.gz CUOUMMMYLJHJLI-AWEZNQCLSA-N -2 3 344.389 1.991 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000277240387 268533603 /nfs/dbraw/zinc/53/36/03/268533603.db2.gz KLDBAVUCLRHSRP-QWRGUYRKSA-N -2 3 340.357 1.519 20 5 EDBDHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000297008142 303353459 /nfs/dbraw/zinc/35/34/59/303353459.db2.gz RIZSSYRSHBITMP-NXEZZACHSA-N -2 3 328.346 1.374 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000548590109 306132296 /nfs/dbraw/zinc/13/22/96/306132296.db2.gz PJNIWURTFQKVPO-QMMMGPOBSA-N -2 3 336.391 1.600 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c1 ZINC000414318945 319324258 /nfs/dbraw/zinc/32/42/58/319324258.db2.gz MYTGUFZFQUVODE-JTQLQIEISA-N -2 3 344.345 1.140 20 5 EDBDHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000568990336 321313426 /nfs/dbraw/zinc/31/34/26/321313426.db2.gz ALYHKFFWWXOSDI-LJGSYFOKSA-N -2 3 334.737 1.390 20 5 EDBDHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000581189202 322147045 /nfs/dbraw/zinc/14/70/45/322147045.db2.gz AMTOTLBWIQETSR-UHFFFAOYSA-N -2 3 330.362 1.907 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000591743580 448480405 /nfs/dbraw/zinc/48/04/05/448480405.db2.gz JTJOSOWHFHBEME-ZWNOBZJWSA-N -2 3 344.389 1.927 20 5 EDBDHL COCC[C@@H](C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520590093 448914783 /nfs/dbraw/zinc/91/47/83/448914783.db2.gz RRMGJETWTRKEOK-SECBINFHSA-N -2 3 346.361 1.244 20 5 EDBDHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000596026481 449324500 /nfs/dbraw/zinc/32/45/00/449324500.db2.gz LCTMPHNZGBPMDG-JTQLQIEISA-N -2 3 346.336 1.513 20 5 EDBDHL Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000826254490 594400545 /nfs/dbraw/zinc/40/05/45/594400545.db2.gz OCXKRYIRFYVIRA-UHFFFAOYSA-N -2 3 328.288 1.768 20 5 EDBDHL Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000826254490 594400546 /nfs/dbraw/zinc/40/05/46/594400546.db2.gz OCXKRYIRFYVIRA-UHFFFAOYSA-N -2 3 328.288 1.768 20 5 EDBDHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000274996205 201274435 /nfs/dbraw/zinc/27/44/35/201274435.db2.gz NLLYZTWFYCBUSC-QMMMGPOBSA-N -2 3 334.325 1.656 20 5 EDBDHL CCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000261649824 139214317 /nfs/dbraw/zinc/21/43/17/139214317.db2.gz JNPLPFHYSINUTF-VIFPVBQESA-N -2 3 332.334 1.135 20 5 EDBDHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000317136353 303763961 /nfs/dbraw/zinc/76/39/61/303763961.db2.gz UVNKPXOPSQKJKL-DGCLKSJQSA-N -2 3 328.346 1.517 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c1C ZINC000548236340 306121878 /nfs/dbraw/zinc/12/18/78/306121878.db2.gz UPGJXMVMRXEZHZ-GFCCVEGCSA-N -2 3 342.373 1.743 20 5 EDBDHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000567896046 321267086 /nfs/dbraw/zinc/26/70/86/321267086.db2.gz KHADGHQAIDHFBN-XOULXFPDSA-N -2 3 344.345 1.301 20 5 EDBDHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000399597447 447564712 /nfs/dbraw/zinc/56/47/12/447564712.db2.gz RUUPGIRRJCQNGE-CABZTGNLSA-N -2 3 330.362 1.618 20 5 EDBDHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574325096 448846068 /nfs/dbraw/zinc/84/60/68/448846068.db2.gz GUNCRBRSAIPPCO-MRVPVSSYSA-N -2 3 340.723 1.196 20 5 EDBDHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000619750628 450325998 /nfs/dbraw/zinc/32/59/98/450325998.db2.gz IFSSICRHPBYYNZ-PELKAZGASA-N -2 3 328.346 1.372 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000274993684 302048057 /nfs/dbraw/zinc/04/80/57/302048057.db2.gz LADSGXJHPWVSCV-JTQLQIEISA-N -2 3 330.362 1.681 20 5 EDBDHL CCC[C@@H](C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000315940227 303763174 /nfs/dbraw/zinc/76/31/74/303763174.db2.gz SSJPYRCQZUZTPE-JTQLQIEISA-N -2 3 330.362 1.682 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1[N+](=O)[O-] ZINC000551911652 306168027 /nfs/dbraw/zinc/16/80/27/306168027.db2.gz KWSVIXVOKRIRKU-UHFFFAOYSA-N -2 3 342.373 1.745 20 5 EDBDHL C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)C(=O)[O-] ZINC000133322268 442412698 /nfs/dbraw/zinc/41/26/98/442412698.db2.gz KUFVIDIYUGNFMG-BQBZGAKWSA-N -2 3 336.753 1.636 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)cc1C ZINC000275027792 443618250 /nfs/dbraw/zinc/61/82/50/443618250.db2.gz FCGVTLHSNGXXKR-LBPRGKRZSA-N -2 3 344.389 1.989 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)c([N+](=O)[O-])c1 ZINC000320293990 444329087 /nfs/dbraw/zinc/32/90/87/444329087.db2.gz JAUDIFASDGJKSC-ZDUSSCGKSA-N -2 3 344.345 1.135 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])c1C ZINC000592152015 448713030 /nfs/dbraw/zinc/71/30/30/448713030.db2.gz LHMPHPUGPCNBNA-MNOVXSKESA-N -2 3 342.373 1.743 20 5 EDBDHL Nc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000548570315 449060759 /nfs/dbraw/zinc/06/07/59/449060759.db2.gz VSSDJDMEMSMCEP-UHFFFAOYSA-N -2 3 337.313 1.676 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000593272163 449199482 /nfs/dbraw/zinc/19/94/82/449199482.db2.gz FCSXQIZMPYKOPI-VIFPVBQESA-N -2 3 348.402 1.744 20 5 EDBDHL CCC(CC)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])NC(=O)[O-] ZINC000826561151 594526486 /nfs/dbraw/zinc/52/64/86/594526486.db2.gz MBMPLCNBIWALCQ-UHFFFAOYSA-N -2 3 345.377 1.700 20 5 EDBDHL Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000837295190 595078418 /nfs/dbraw/zinc/07/84/18/595078418.db2.gz PZHXHPMRZZWLTO-SSDOTTSWSA-N -2 3 340.716 1.258 20 5 EDBDHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])(C(=O)[O-])C1 ZINC000560418283 306268079 /nfs/dbraw/zinc/26/80/79/306268079.db2.gz QLBJAAVGEHCBCW-AWEZNQCLSA-N -2 3 342.373 1.907 20 5 EDBDHL CCC[C@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000262376317 139274344 /nfs/dbraw/zinc/27/43/44/139274344.db2.gz NCJWHIFEOOAJSF-JTQLQIEISA-N -2 3 330.362 1.743 20 5 EDBDHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352247376 162071047 /nfs/dbraw/zinc/07/10/47/162071047.db2.gz XZWYBZLLXCARRT-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000352247376 162071050 /nfs/dbraw/zinc/07/10/50/162071050.db2.gz XZWYBZLLXCARRT-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL CC[C@](C)(C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000274943568 268245654 /nfs/dbraw/zinc/24/56/54/268245654.db2.gz GQAUYIDVJBYASM-CQSZACIVSA-N -2 3 344.389 1.991 20 5 EDBDHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000285038885 274431773 /nfs/dbraw/zinc/43/17/73/274431773.db2.gz IYVJILAMDPVCJQ-JTQLQIEISA-N -2 3 348.764 1.780 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC000548226598 306121495 /nfs/dbraw/zinc/12/14/95/306121495.db2.gz UANAAKFPSYSRJK-UHFFFAOYSA-N -2 3 342.373 1.827 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000322175809 444339268 /nfs/dbraw/zinc/33/92/68/444339268.db2.gz YFXYNHBSYVVQMN-RISCZKNCSA-N -2 3 342.373 1.825 20 5 EDBDHL O=C([N-]c1n[n-]c(SCCO)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343852170 444628035 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346.361 1.060 20 5 EDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000274991124 268258638 /nfs/dbraw/zinc/25/86/38/268258638.db2.gz ZCFAVUDLKXJTRT-ZETCQYMHSA-N -2 3 336.753 1.556 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000275022251 268266196 /nfs/dbraw/zinc/26/61/96/268266196.db2.gz RZYDYWSNCKRKHW-VIFPVBQESA-N -2 3 346.361 1.383 20 5 EDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000275067015 273099488 /nfs/dbraw/zinc/09/94/88/273099488.db2.gz VTHFSWOKVYHVFL-QMMMGPOBSA-N -2 3 332.334 1.135 20 5 EDBDHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000548221290 306121099 /nfs/dbraw/zinc/12/10/99/306121099.db2.gz SWQQTXVWNYCJOH-NSHDSACASA-N -2 3 342.373 1.907 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c1C ZINC000548236341 306121892 /nfs/dbraw/zinc/12/18/92/306121892.db2.gz UPGJXMVMRXEZHZ-LBPRGKRZSA-N -2 3 342.373 1.743 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000275042977 443619478 /nfs/dbraw/zinc/61/94/78/443619478.db2.gz RGGFESXGPFRROI-JTQLQIEISA-N -2 3 346.361 1.239 20 5 EDBDHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000362276380 446299379 /nfs/dbraw/zinc/29/93/79/446299379.db2.gz GIBARWIJUCCSJJ-LDWIPMOCSA-N -2 3 336.391 1.742 20 5 EDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000593317165 449224304 /nfs/dbraw/zinc/22/43/04/449224304.db2.gz VLEWDSPUXBRDNA-UHFFFAOYSA-N -2 3 340.357 1.904 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1C ZINC000594574015 449579987 /nfs/dbraw/zinc/57/99/87/449579987.db2.gz VRGCYCNBQZQOIE-SECBINFHSA-N -2 3 334.325 1.303 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCN(C)C(=O)[O-])cc1C ZINC000740098865 579289694 /nfs/dbraw/zinc/28/96/94/579289694.db2.gz LCFTZTBJSANKTJ-UHFFFAOYSA-N -2 3 331.350 1.100 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000790614835 580773923 /nfs/dbraw/zinc/77/39/23/580773923.db2.gz FTCMTVMQYPCSMB-SNVBAGLBSA-N -2 3 330.362 1.601 20 5 EDBDHL Cc1cc(C(=O)[N-]c2cc(-c3nn[n-]n3)cc([N+](=O)[O-])c2Cl)no1 ZINC000826260364 594401860 /nfs/dbraw/zinc/40/18/60/594401860.db2.gz KQCKELYTFMTNKD-UHFFFAOYSA-N -2 3 349.694 1.977 20 5 EDBDHL CCc1nc([N-]C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])sc1C(=O)[O-] ZINC000833674397 594903746 /nfs/dbraw/zinc/90/37/46/594903746.db2.gz AQNXTYXHBLLMLS-UHFFFAOYSA-N -2 3 339.333 1.850 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c1C ZINC000563081938 306318035 /nfs/dbraw/zinc/31/80/35/306318035.db2.gz SIHKGLNSTWDZCD-WDEREUQCSA-N -2 3 342.373 1.743 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000261812931 139228297 /nfs/dbraw/zinc/22/82/97/139228297.db2.gz VURLIVDBEKKAGZ-UHFFFAOYSA-N -2 3 342.373 1.825 20 5 EDBDHL Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000355458864 150277851 /nfs/dbraw/zinc/27/78/51/150277851.db2.gz UKCXAOIRUVVKFK-UHFFFAOYSA-N -2 3 341.301 1.068 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000274993686 268258538 /nfs/dbraw/zinc/25/85/38/268258538.db2.gz LADSGXJHPWVSCV-SNVBAGLBSA-N -2 3 330.362 1.681 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000275080853 268276910 /nfs/dbraw/zinc/27/69/10/268276910.db2.gz YPAITWRCAVSXOV-JTQLQIEISA-N -2 3 346.361 1.239 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1[N+](=O)[O-] ZINC000277329500 273189136 /nfs/dbraw/zinc/18/91/36/273189136.db2.gz VKGNMARIHUJHLU-SNVBAGLBSA-N -2 3 330.362 1.743 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000359144391 301689299 /nfs/dbraw/zinc/68/92/99/301689299.db2.gz OPQDRHBZQBMNIF-NSHDSACASA-N -2 3 344.389 1.928 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000548549523 306131280 /nfs/dbraw/zinc/13/12/80/306131280.db2.gz QNFHCNNHTNMUPB-JOYOIKCWSA-N -2 3 348.402 1.886 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)cc1C ZINC000270411758 443470388 /nfs/dbraw/zinc/47/03/88/443470388.db2.gz CGECCUBUBHEVDO-UHFFFAOYSA-N -2 3 342.373 1.887 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])cc1C ZINC000285019489 443824352 /nfs/dbraw/zinc/82/43/52/443824352.db2.gz HXIDJGJDZHLAFI-NSHDSACASA-N -2 3 342.373 1.743 20 5 EDBDHL CS(=O)(=O)[N-]c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000340546356 444432862 /nfs/dbraw/zinc/43/28/62/444432862.db2.gz QZGGKSATXGWTRJ-UHFFFAOYSA-N -2 3 342.308 1.686 20 5 EDBDHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000340546143 444433007 /nfs/dbraw/zinc/43/30/07/444433007.db2.gz YRNTYOGITGSRMG-BXKDBHETSA-N -2 3 330.362 1.681 20 5 EDBDHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000580781496 322095154 /nfs/dbraw/zinc/09/51/54/322095154.db2.gz RYNLZJBGXSABFA-NSHDSACASA-N -2 3 346.361 1.242 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C ZINC000399592701 325749660 /nfs/dbraw/zinc/74/96/60/325749660.db2.gz PWMZGAQGILIKOK-JQWIXIFHSA-N -2 3 344.389 1.927 20 5 EDBDHL Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)n1 ZINC000362018453 446156679 /nfs/dbraw/zinc/15/66/79/446156679.db2.gz BENNFTSXBHJAIO-UHFFFAOYSA-N -2 3 349.257 1.644 20 5 EDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000399319533 447563934 /nfs/dbraw/zinc/56/39/34/447563934.db2.gz PPKHXDTXIAJNBF-NSHDSACASA-N -2 3 348.764 1.780 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530473116 447893867 /nfs/dbraw/zinc/89/38/67/447893867.db2.gz KAEWURRKRULZGH-LLVKDONJSA-N -2 3 342.373 1.825 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC000584467982 448537905 /nfs/dbraw/zinc/53/79/05/448537905.db2.gz ROYHTAOOZNFSBR-AOOOYVTPSA-N -2 3 328.346 1.353 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000579906200 448903375 /nfs/dbraw/zinc/90/33/75/448903375.db2.gz VHOUVSYRPGOYHS-SNVBAGLBSA-N -2 3 330.362 1.681 20 5 EDBDHL O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555486 449334542 /nfs/dbraw/zinc/33/45/42/449334542.db2.gz MOLAEXPETPRQHT-ZDUSSCGKSA-N -2 3 340.299 1.333 20 5 EDBDHL CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c1 ZINC000738214536 579173360 /nfs/dbraw/zinc/17/33/60/579173360.db2.gz LLTOXQZVPSPPFE-UHFFFAOYSA-N -2 3 337.317 1.314 20 5 EDBDHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000262327262 139270615 /nfs/dbraw/zinc/27/06/15/139270615.db2.gz RXZLCCDIMZIPHI-SNVBAGLBSA-N -2 3 330.362 1.620 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000340452329 142396052 /nfs/dbraw/zinc/39/60/52/142396052.db2.gz QSORBBOACQJEBA-UHFFFAOYSA-N -2 3 330.362 1.827 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1C ZINC000274956723 268249863 /nfs/dbraw/zinc/24/98/63/268249863.db2.gz HBRVVOPYCSMSHP-UHFFFAOYSA-N -2 3 344.389 1.991 20 5 EDBDHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-])C1CC1 ZINC000548990276 306143329 /nfs/dbraw/zinc/14/33/29/306143329.db2.gz FMULZPMNULLJIM-JMCQJSRRSA-N -2 3 346.336 1.512 20 5 EDBDHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000133162282 442407987 /nfs/dbraw/zinc/40/79/87/442407987.db2.gz PUCDATGYYLPXFI-BQBZGAKWSA-N -2 3 336.753 1.636 20 5 EDBDHL COc1cccc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)c1[N+](=O)[O-] ZINC000195446217 443019860 /nfs/dbraw/zinc/01/98/60/443019860.db2.gz IRTSUALQCRMSGY-UHFFFAOYSA-N -2 3 331.210 1.993 20 5 EDBDHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000530420277 320624246 /nfs/dbraw/zinc/62/42/46/320624246.db2.gz TZVXQKABENZPDO-LLVKDONJSA-N -2 3 346.336 1.656 20 5 EDBDHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000566820140 321234522 /nfs/dbraw/zinc/23/45/22/321234522.db2.gz CWWSLEVSSCLHKO-SSDOTTSWSA-N -2 3 338.288 1.229 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000570107988 321338313 /nfs/dbraw/zinc/33/83/13/321338313.db2.gz GWJZUQOGOVVENX-TVQRCGJNSA-N -2 3 342.373 1.681 20 5 EDBDHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000582604270 325884101 /nfs/dbraw/zinc/88/41/01/325884101.db2.gz VGCSTORZDFCPEU-DOGVGXBMSA-N -2 3 342.373 1.909 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000391374866 447513822 /nfs/dbraw/zinc/51/38/22/447513822.db2.gz TZBCFYSGIJFUBW-SNVBAGLBSA-N -2 3 346.361 1.381 20 5 EDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000399318816 447563783 /nfs/dbraw/zinc/56/37/83/447563783.db2.gz PDXAFMBXHGCXJZ-NSHDSACASA-N -2 3 332.309 1.266 20 5 EDBDHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])OC ZINC000582731061 448325984 /nfs/dbraw/zinc/32/59/84/448325984.db2.gz 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Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1C ZINC000275050879 268271647 /nfs/dbraw/zinc/27/16/47/268271647.db2.gz SIWQOKLNIGMHST-VIFPVBQESA-N -2 3 330.362 1.743 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000275133873 273102491 /nfs/dbraw/zinc/10/24/91/273102491.db2.gz VUUWKEZJPIIUOG-NSHDSACASA-N -2 3 346.361 1.381 20 5 EDBDHL O=C([O-])c1coc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000527491005 305848025 /nfs/dbraw/zinc/84/80/25/305848025.db2.gz QFOXUQBAMRQMDX-UHFFFAOYSA-N -2 3 340.313 1.506 20 5 EDBDHL O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1[O-] ZINC000534884684 306009210 /nfs/dbraw/zinc/00/92/10/306009210.db2.gz SKBOUBSTGYOHDD-UHFFFAOYSA-N -3 3 328.277 1.946 20 5 EDBDHL O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc([O-])c2F)ccc1[O-] ZINC000534884684 306009211 /nfs/dbraw/zinc/00/92/11/306009211.db2.gz SKBOUBSTGYOHDD-UHFFFAOYSA-N -2 3 328.277 1.946 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-] ZINC000297106615 318751879 /nfs/dbraw/zinc/75/18/79/318751879.db2.gz ZPSIJWIRPXJBIR-GHMZBOCLSA-N -2 3 342.373 1.682 20 5 EDBDHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])O1 ZINC000517944774 320453486 /nfs/dbraw/zinc/45/34/86/320453486.db2.gz PASNNMQZBFCDGW-SCZZXKLOSA-N -2 3 344.345 1.139 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000277251406 443950281 /nfs/dbraw/zinc/95/02/81/443950281.db2.gz LSZFHKVKSPFOBY-LLVKDONJSA-N -2 3 344.389 1.847 20 5 EDBDHL C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568006834 321272638 /nfs/dbraw/zinc/27/26/38/321272638.db2.gz SYVDTZFMQUATFO-VXNVDRBHSA-N -2 3 346.386 1.323 20 5 EDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C2CCSCC2)c1[N+](=O)[O-] ZINC000581611358 322199246 /nfs/dbraw/zinc/19/92/46/322199246.db2.gz XKQBLFATICZHDA-UHFFFAOYSA-N -2 3 346.386 1.467 20 5 EDBDHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000359083509 445932838 /nfs/dbraw/zinc/93/28/38/445932838.db2.gz FZNDYAFTPRNYNZ-JTQLQIEISA-N -2 3 330.362 1.825 20 5 EDBDHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432497098 446475795 /nfs/dbraw/zinc/47/57/95/446475795.db2.gz NLTPPTCPZCKLOO-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432497098 446475802 /nfs/dbraw/zinc/47/58/02/446475802.db2.gz NLTPPTCPZCKLOO-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000832489058 594753952 /nfs/dbraw/zinc/75/39/52/594753952.db2.gz BWNMUHQXMYLLGV-UWVGGRQHSA-N -2 3 343.361 1.309 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CN(C(=O)[O-])C2)c1C ZINC000833908023 594962456 /nfs/dbraw/zinc/96/24/56/594962456.db2.gz ZJLDROKFYOXHQB-UHFFFAOYSA-N -2 3 343.361 1.100 20 5 EDBDHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[N+](=O)[O-])O1 ZINC000414342218 304108432 /nfs/dbraw/zinc/10/84/32/304108432.db2.gz ISMICGMSCWVBGF-SCZZXKLOSA-N -2 3 344.345 1.139 20 5 EDBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000414345885 304109169 /nfs/dbraw/zinc/10/91/69/304109169.db2.gz UCEOIZOETSNXSR-MNOVXSKESA-N -2 3 332.309 1.462 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000261731603 139221378 /nfs/dbraw/zinc/22/13/78/139221378.db2.gz RDSXSKBUOZIQFI-JTQLQIEISA-N -2 3 330.362 1.681 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000274936717 268243840 /nfs/dbraw/zinc/24/38/40/268243840.db2.gz DKUVWTJVANJAAW-MRVPVSSYSA-N -2 3 332.334 1.135 20 5 EDBDHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275025458 268266781 /nfs/dbraw/zinc/26/67/81/268266781.db2.gz PGSQFUQFVVACNA-SFYZADRCSA-N -2 3 330.293 1.042 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000275057748 268272923 /nfs/dbraw/zinc/27/29/23/268272923.db2.gz UESPTFYUHGAYFA-JTQLQIEISA-N -2 3 330.362 1.538 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1C ZINC000275080704 268277104 /nfs/dbraw/zinc/27/71/04/268277104.db2.gz YNIYWFQPCHCFMG-LLVKDONJSA-N -2 3 344.389 1.989 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1[N+](=O)[O-] ZINC000282633929 273691905 /nfs/dbraw/zinc/69/19/05/273691905.db2.gz CJWIHPRMNTWKFQ-UHFFFAOYSA-N -2 3 328.346 1.497 20 5 EDBDHL CC[C@H](C[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])CC(=O)[O-] ZINC000548594297 320887045 /nfs/dbraw/zinc/88/70/45/320887045.db2.gz NPSCHLXUNJNAGQ-NSHDSACASA-N -2 3 344.389 1.991 20 5 EDBDHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000322177554 444339090 /nfs/dbraw/zinc/33/90/90/444339090.db2.gz YPSANXTUPVDDPL-WCQYABFASA-N -2 3 346.336 1.656 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000322175807 444339161 /nfs/dbraw/zinc/33/91/61/444339161.db2.gz YFXYNHBSYVVQMN-BXUZGUMPSA-N -2 3 342.373 1.825 20 5 EDBDHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356025357 445576362 /nfs/dbraw/zinc/57/63/62/445576362.db2.gz PMJCDPJQFNHPJH-UHFFFAOYSA-N -2 3 342.271 1.438 20 5 EDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000390359077 325731788 /nfs/dbraw/zinc/73/17/88/325731788.db2.gz NRMSKRINDSHVGM-BDAKNGLRSA-N -2 3 344.345 1.135 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c([N+](=O)[O-])c1 ZINC000547874758 448942114 /nfs/dbraw/zinc/94/21/14/448942114.db2.gz KNXMRCSSWIGYMA-NSHDSACASA-N -2 3 330.362 1.681 20 5 EDBDHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000740496055 579353412 /nfs/dbraw/zinc/35/34/12/579353412.db2.gz AKKRMVUOXITMAJ-JTQLQIEISA-N -2 3 343.361 1.263 20 5 EDBDHL O=C([O-])c1cc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cs1 ZINC000759167373 580000054 /nfs/dbraw/zinc/00/00/54/580000054.db2.gz HUFPVTQDAXNREF-UHFFFAOYSA-N -2 3 344.330 1.055 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c1C ZINC000776572992 580421566 /nfs/dbraw/zinc/42/15/66/580421566.db2.gz DKBONYDPGADQGW-NSHDSACASA-N -2 3 342.373 1.743 20 5 EDBDHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000738165366 593109740 /nfs/dbraw/zinc/10/97/40/593109740.db2.gz CKKUNNDCVDUCLM-UHFFFAOYSA-N -2 3 344.262 1.872 20 5 EDBDHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000738165366 593109741 /nfs/dbraw/zinc/10/97/41/593109741.db2.gz CKKUNNDCVDUCLM-UHFFFAOYSA-N -2 3 344.262 1.872 20 5 EDBDHL Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826330088 594428129 /nfs/dbraw/zinc/42/81/29/594428129.db2.gz DZXHRFXPBQIQBP-UHFFFAOYSA-N -2 3 341.287 1.436 20 5 EDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000054504683 214240611 /nfs/dbraw/zinc/24/06/11/214240611.db2.gz SSMQKTBBTJTKMC-SNVBAGLBSA-N -2 3 334.737 1.390 20 5 EDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000565060866 306374022 /nfs/dbraw/zinc/37/40/22/306374022.db2.gz PJZQTQCDSVMGAP-SNVBAGLBSA-N -2 3 340.357 1.928 20 5 EDBDHL CCC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])OC ZINC000414326965 304106689 /nfs/dbraw/zinc/10/66/89/304106689.db2.gz OHXQGSWZMDLQBK-SNVBAGLBSA-N -2 3 346.361 1.386 20 5 EDBDHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000261730714 139221394 /nfs/dbraw/zinc/22/13/94/139221394.db2.gz MUXTXYXUOAQUKC-VIFPVBQESA-N -2 3 348.352 1.759 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c1[N+](=O)[O-] ZINC000277274333 273185962 /nfs/dbraw/zinc/18/59/62/273185962.db2.gz OVPJOHSTEDKROC-LBPRGKRZSA-N -2 3 344.389 1.989 20 5 EDBDHL CC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000316657629 303763317 /nfs/dbraw/zinc/76/33/17/303763317.db2.gz XTRSHGWGDWHCPL-GFCCVEGCSA-N -2 3 332.334 1.135 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1[N+](=O)[O-] ZINC000277319528 443963533 /nfs/dbraw/zinc/96/35/33/443963533.db2.gz UFJFLIXOVFHWFA-UHFFFAOYSA-N -2 3 344.389 1.991 20 5 EDBDHL C[C@@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000317136357 444313822 /nfs/dbraw/zinc/31/38/22/444313822.db2.gz UVNKPXOPSQKJKL-WCQYABFASA-N -2 3 328.346 1.517 20 5 EDBDHL CC[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000577713693 321675396 /nfs/dbraw/zinc/67/53/96/321675396.db2.gz BPLWAAGCQLIBID-MRVPVSSYSA-N -2 3 334.325 1.513 20 5 EDBDHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000611555485 449335392 /nfs/dbraw/zinc/33/53/92/449335392.db2.gz MOLAEXPETPRQHT-CYBMUJFWSA-N -2 3 340.299 1.333 20 5 EDBDHL CCc1[nH]nc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000610337326 450195236 /nfs/dbraw/zinc/19/52/36/450195236.db2.gz HWOSYJHHFQBVDV-UHFFFAOYSA-N -2 3 328.292 1.313 20 5 EDBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261643314 535981021 /nfs/dbraw/zinc/98/10/21/535981021.db2.gz 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ZINC000578074470 448455229 /nfs/dbraw/zinc/45/52/29/448455229.db2.gz VPXSUROLXHKAST-VIFPVBQESA-N -2 3 346.361 1.386 20 5 EDBDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccccc2)c1-c1nnn[n-]1 ZINC000823647513 594224521 /nfs/dbraw/zinc/22/45/21/594224521.db2.gz LDWAFUPDWCXARJ-UHFFFAOYSA-N -2 3 346.328 1.576 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cc1C ZINC000274952391 201274871 /nfs/dbraw/zinc/27/48/71/201274871.db2.gz GKWISENFFFICQG-SECBINFHSA-N -2 3 344.389 1.991 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000414349838 304109583 /nfs/dbraw/zinc/10/95/83/304109583.db2.gz TXTMJSDKPHOORS-QMMMGPOBSA-N -2 3 332.359 1.077 20 5 EDBDHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360838012 152225478 /nfs/dbraw/zinc/22/54/78/152225478.db2.gz AELCYEKQTPDSTJ-UHFFFAOYSA-N -2 3 331.210 1.367 20 5 EDBDHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360838012 152225480 /nfs/dbraw/zinc/22/54/80/152225480.db2.gz AELCYEKQTPDSTJ-UHFFFAOYSA-N -2 3 331.210 1.367 20 5 EDBDHL O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360838012 152225482 /nfs/dbraw/zinc/22/54/82/152225482.db2.gz AELCYEKQTPDSTJ-UHFFFAOYSA-N -2 3 331.210 1.367 20 5 EDBDHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000020009206 280328921 /nfs/dbraw/zinc/32/89/21/280328921.db2.gz LFTUZODTWOTYBH-JTQLQIEISA-N -2 3 336.753 1.636 20 5 EDBDHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000401574871 303859525 /nfs/dbraw/zinc/85/95/25/303859525.db2.gz USGTYHXTAARDEU-VIFPVBQESA-N -2 3 330.362 1.763 20 5 EDBDHL COc1nc([N-]C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])n[n-]1 ZINC000271309021 443500809 /nfs/dbraw/zinc/50/08/09/443500809.db2.gz VBBNUURDNIPKHA-UHFFFAOYSA-N -2 3 339.333 1.704 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)cc1[N+](=O)[O-] ZINC000516369209 320435823 /nfs/dbraw/zinc/43/58/23/320435823.db2.gz NOYMUOHOTYLTFJ-QMMMGPOBSA-N -2 3 336.391 1.742 20 5 EDBDHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000320769705 444332033 /nfs/dbraw/zinc/33/20/33/444332033.db2.gz HFQFCWPJQRHWGJ-OQPBUACISA-N -2 3 344.389 1.989 20 5 EDBDHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000596028441 449326454 /nfs/dbraw/zinc/32/64/54/449326454.db2.gz ZQAUWBITKDOVQG-JTQLQIEISA-N -2 3 328.346 1.374 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000594720952 449647759 /nfs/dbraw/zinc/64/77/59/449647759.db2.gz QXDDJPYRDFCMHV-LBPRGKRZSA-N -2 3 334.325 1.384 20 5 EDBDHL Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826358176 594442814 /nfs/dbraw/zinc/44/28/14/594442814.db2.gz JBSFXAKBKYURLD-UHFFFAOYSA-N -2 3 329.276 1.071 20 5 EDBDHL Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000826358176 594442815 /nfs/dbraw/zinc/44/28/15/594442815.db2.gz JBSFXAKBKYURLD-UHFFFAOYSA-N -2 3 329.276 1.071 20 5 EDBDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])ccn1 ZINC000738463737 600520770 /nfs/dbraw/zinc/52/07/70/600520770.db2.gz SUQLFSJPDFVESK-UHFFFAOYSA-N -2 3 337.313 1.219 20 5 EDBDHL CC[C@@H](CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000563688404 306345136 /nfs/dbraw/zinc/34/51/36/306345136.db2.gz ZGJWGCTUCYIQDW-QMMMGPOBSA-N -2 3 336.391 1.744 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000414326144 304106351 /nfs/dbraw/zinc/10/63/51/304106351.db2.gz XWYWPNSFOIEUMV-SNVBAGLBSA-N -2 3 340.357 1.928 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1C ZINC000274998864 201274533 /nfs/dbraw/zinc/27/45/33/201274533.db2.gz LMKBUQAWYBWACZ-GHMZBOCLSA-N -2 3 340.357 1.519 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000275057752 302047175 /nfs/dbraw/zinc/04/71/75/302047175.db2.gz UESPTFYUHGAYFA-SNVBAGLBSA-N -2 3 330.362 1.538 20 5 EDBDHL CC(C)c1[nH]nc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000433837921 305113649 /nfs/dbraw/zinc/11/36/49/305113649.db2.gz HQPUOAHBOZGEEH-UHFFFAOYSA-N -2 3 342.319 1.874 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C1CC1 ZINC000386431654 319130070 /nfs/dbraw/zinc/13/00/70/319130070.db2.gz QUWKBERGMTWZNB-CYBMUJFWSA-N -2 3 328.346 1.435 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000548554004 320884670 /nfs/dbraw/zinc/88/46/70/320884670.db2.gz JKYRWGCPSXLVHU-SSDOTTSWSA-N -2 3 336.391 1.744 20 5 EDBDHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000359083510 445932496 /nfs/dbraw/zinc/93/24/96/445932496.db2.gz FZNDYAFTPRNYNZ-SNVBAGLBSA-N -2 3 330.362 1.825 20 5 EDBDHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000391387983 447513472 /nfs/dbraw/zinc/51/34/72/447513472.db2.gz AODJQSJRIOGTFW-JSGCOSHPSA-N -2 3 342.373 1.907 20 5 EDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000566316438 448445153 /nfs/dbraw/zinc/44/51/53/448445153.db2.gz ZATWOPXTBDBDTH-MRVPVSSYSA-N -2 3 346.386 1.324 20 5 EDBDHL CSCCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573496619 448642347 /nfs/dbraw/zinc/64/23/47/448642347.db2.gz RPWBFVNTGJXVAL-UHFFFAOYSA-N -2 3 348.402 1.715 20 5 EDBDHL COCC[C@H](C)C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000520590094 448915046 /nfs/dbraw/zinc/91/50/46/448915046.db2.gz RRMGJETWTRKEOK-VIFPVBQESA-N -2 3 346.361 1.244 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000593274181 449201675 /nfs/dbraw/zinc/20/16/75/449201675.db2.gz QIEUAFRJCFCVDV-QMMMGPOBSA-N -2 3 344.345 1.135 20 5 EDBDHL C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000593312564 449221814 /nfs/dbraw/zinc/22/18/14/449221814.db2.gz UMMXXWMTLFYEOH-IONNQARKSA-N -2 3 346.386 1.465 20 5 EDBDHL CCOC(=O)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])c([O-])c2)s1 ZINC000613561424 450227161 /nfs/dbraw/zinc/22/71/61/450227161.db2.gz IHERTNRYWYNFLN-UHFFFAOYSA-N -2 3 338.301 1.581 20 5 EDBDHL O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000823115011 594155454 /nfs/dbraw/zinc/15/54/54/594155454.db2.gz HQXDBYAOWMCAOK-UHFFFAOYSA-N -2 3 340.299 1.662 20 5 EDBDHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070311784 202331733 /nfs/dbraw/zinc/33/17/33/202331733.db2.gz SUGIFTYXFGLDDT-SSDOTTSWSA-N -2 3 336.753 1.780 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000287415786 288232784 /nfs/dbraw/zinc/23/27/84/288232784.db2.gz FOZCXMDSHODGRB-JTQLQIEISA-N -2 3 344.345 1.135 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCO2)c1 ZINC000414318946 319324084 /nfs/dbraw/zinc/32/40/84/319324084.db2.gz MYTGUFZFQUVODE-SNVBAGLBSA-N -2 3 344.345 1.140 20 5 EDBDHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CS1 ZINC000576996903 321614459 /nfs/dbraw/zinc/61/44/59/321614459.db2.gz MVNHGPZWUGHPHO-IONNQARKSA-N -2 3 346.386 1.465 20 5 EDBDHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC)C(=O)[O-] ZINC000320777497 444332316 /nfs/dbraw/zinc/33/23/16/444332316.db2.gz IOKMECYCPPDKTD-PELKAZGASA-N -2 3 346.361 1.381 20 5 EDBDHL COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])[n-]n3)s[n-]2)c1 ZINC000352738556 445553145 /nfs/dbraw/zinc/55/31/45/445553145.db2.gz UUBFQCJNXMPOLU-UHFFFAOYSA-N -2 3 346.328 1.519 20 5 EDBDHL COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])n[n-]3)s[n-]2)c1 ZINC000352738556 445553146 /nfs/dbraw/zinc/55/31/46/445553146.db2.gz UUBFQCJNXMPOLU-UHFFFAOYSA-N -2 3 346.328 1.519 20 5 EDBDHL CC(C)=CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584533454 448561303 /nfs/dbraw/zinc/56/13/03/448561303.db2.gz AOHCJVHXSSRNBV-UHFFFAOYSA-N -2 3 328.346 1.928 20 5 EDBDHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000547889532 448945144 /nfs/dbraw/zinc/94/51/44/448945144.db2.gz JASMQCLQECUGNU-SNVBAGLBSA-N -2 3 340.313 1.162 20 5 EDBDHL O=C([O-])NCCC[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000740653026 579374995 /nfs/dbraw/zinc/37/49/95/579374995.db2.gz RKQWPULMTGURLZ-UHFFFAOYSA-N -2 3 337.741 1.184 20 5 EDBDHL O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[N-]C(=O)c1ccccc1 ZINC000769047636 580226379 /nfs/dbraw/zinc/22/63/79/580226379.db2.gz OTRPVDVWSDAVFV-UHFFFAOYSA-N -2 3 344.279 1.414 20 5 EDBDHL Cc1sc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c(-c2nn[n-]n2)c1C ZINC000826350071 594439955 /nfs/dbraw/zinc/43/99/55/594439955.db2.gz HAMQIOXIYKABNT-UHFFFAOYSA-N -2 3 348.348 1.439 20 5 EDBDHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000832489063 594753979 /nfs/dbraw/zinc/75/39/79/594753979.db2.gz BWNMUHQXMYLLGV-ZJUUUORDSA-N -2 3 343.361 1.309 20 5 EDBDHL O=C([O-])N1CCc2nc([N-]C(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000834058786 595002702 /nfs/dbraw/zinc/00/27/02/595002702.db2.gz OFDADNJSQKSGTA-UHFFFAOYSA-N -2 3 338.305 1.063 20 5 EDBDHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000853067773 595653703 /nfs/dbraw/zinc/65/37/03/595653703.db2.gz GQWQHHSYBLIYSK-QMMMGPOBSA-N -2 3 346.748 1.700 20 5 EDBDHL Cn1ccnc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])n[n-]1 ZINC000119439507 221320434 /nfs/dbraw/zinc/32/04/34/221320434.db2.gz FZYOVKQUQDEMRX-UHFFFAOYSA-N -2 3 328.288 1.676 20 5 EDBDHL Cn1ccnc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])[n-]n1 ZINC000119439507 221320437 /nfs/dbraw/zinc/32/04/37/221320437.db2.gz FZYOVKQUQDEMRX-UHFFFAOYSA-N -2 3 328.288 1.676 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000274993662 268258768 /nfs/dbraw/zinc/25/87/68/268258768.db2.gz KZUJEUACEPVBNV-UWVGGRQHSA-N -2 3 326.330 1.211 20 5 EDBDHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000275025456 268266761 /nfs/dbraw/zinc/26/67/61/268266761.db2.gz PGSQFUQFVVACNA-HTQZYQBOSA-N -2 3 330.293 1.042 20 5 EDBDHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275072870 268275057 /nfs/dbraw/zinc/27/50/57/268275057.db2.gz WYQDOADRZDKQKA-NSHDSACASA-N -2 3 348.352 1.902 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000275382505 268333685 /nfs/dbraw/zinc/33/36/85/268333685.db2.gz ZSXIYLWGECQJTN-SSDOTTSWSA-N -2 3 338.288 1.290 20 5 EDBDHL CC[C@@H](CC[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000297176996 303368702 /nfs/dbraw/zinc/36/87/02/303368702.db2.gz KUTYLCGBHGQAEQ-JTQLQIEISA-N -2 3 330.362 1.682 20 5 EDBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000317028959 303763633 /nfs/dbraw/zinc/76/36/33/303763633.db2.gz SNAMITFLHVMPTE-UHFFFAOYSA-N -2 3 348.764 1.781 20 5 EDBDHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000319052461 444322293 /nfs/dbraw/zinc/32/22/93/444322293.db2.gz VBPNLSHRJPFMCO-VIFPVBQESA-N -2 3 348.764 1.780 20 5 EDBDHL C/C=C\C[C@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000580771586 322093449 /nfs/dbraw/zinc/09/34/49/322093449.db2.gz HPENHCCRLQJLIU-WYGGZMRJSA-N -2 3 342.373 1.909 20 5 EDBDHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000583128039 326006012 /nfs/dbraw/zinc/00/60/12/326006012.db2.gz LJLBXEWCQAZDEP-MRVPVSSYSA-N -2 3 336.391 1.886 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000530525635 447906342 /nfs/dbraw/zinc/90/63/42/447906342.db2.gz JRXWSFCVRYTPQB-LLVKDONJSA-N -2 3 342.373 1.825 20 5 EDBDHL CC[C@@](C)([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000576035801 447955893 /nfs/dbraw/zinc/95/58/93/447955893.db2.gz WLEDZZFBIRVXIM-CYBMUJFWSA-N -2 3 330.362 1.743 20 5 EDBDHL CCC[C@H](C[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000575923613 447929554 /nfs/dbraw/zinc/92/95/54/447929554.db2.gz GZQVBFWVUOPQBV-LLVKDONJSA-N -2 3 344.389 1.991 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)c1C ZINC000555859166 448096990 /nfs/dbraw/zinc/09/69/90/448096990.db2.gz SIHKGLNSTWDZCD-MNOVXSKESA-N -2 3 342.373 1.743 20 5 EDBDHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000515063639 448254512 /nfs/dbraw/zinc/25/45/12/448254512.db2.gz CKLIWKVJRYTPDT-WPRPVWTQSA-N -2 3 344.345 1.139 20 5 EDBDHL C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000593312411 449221772 /nfs/dbraw/zinc/22/17/72/449221772.db2.gz HUXBQWPALVHCCW-APPZFPTMSA-N -2 3 346.386 1.465 20 5 EDBDHL CC(C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)C(=O)[O-] ZINC000735663998 578910861 /nfs/dbraw/zinc/91/08/61/578910861.db2.gz CTESMKGNESXKTJ-UHFFFAOYSA-N -2 3 334.292 1.214 20 5 EDBDHL CC(C)(CC(=O)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1)C(=O)[O-] ZINC000735663998 578910862 /nfs/dbraw/zinc/91/08/62/578910862.db2.gz CTESMKGNESXKTJ-UHFFFAOYSA-N -2 3 334.292 1.214 20 5 EDBDHL Cc1nc(C)c(CC(=O)OCc2cc([O-])ccc2[N+](=O)[O-])c(=O)[n-]1 ZINC000837429662 595108963 /nfs/dbraw/zinc/10/89/63/595108963.db2.gz RNPDIFWZQFGYMJ-UHFFFAOYSA-N -2 3 333.300 1.699 20 5 EDBDHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000738795952 602788800 /nfs/dbraw/zinc/78/88/00/602788800.db2.gz ZGUICQODWFLERZ-JTQLQIEISA-N -2 3 349.340 1.304 20 5 EDBDHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(F)F ZINC000414328048 304106707 /nfs/dbraw/zinc/10/67/07/304106707.db2.gz PPCNJZDVCWYBNJ-VIFPVBQESA-N -2 3 338.288 1.615 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424390261 252206895 /nfs/dbraw/zinc/20/68/95/252206895.db2.gz JVXYKSLPXWTOCH-UHFFFAOYSA-N -2 3 330.362 1.682 20 5 EDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000569790477 306520166 /nfs/dbraw/zinc/52/01/66/306520166.db2.gz GJCHVXCSDWMEIG-RXMQYKEDSA-N -2 3 342.251 1.365 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000274935724 268243529 /nfs/dbraw/zinc/24/35/29/268243529.db2.gz DFKMWYHIACKVDH-VIFPVBQESA-N -2 3 330.362 1.682 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1C ZINC000275070867 268275156 /nfs/dbraw/zinc/27/51/56/268275156.db2.gz WSGBAOGXASPCAU-GHMZBOCLSA-N -2 3 340.357 1.519 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000548260150 306122920 /nfs/dbraw/zinc/12/29/20/306122920.db2.gz PAZSMEGFSANYDP-SNVBAGLBSA-N -2 3 330.362 1.538 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000520403394 320477864 /nfs/dbraw/zinc/47/78/64/320477864.db2.gz YYMSAMBZILEOPS-GHMZBOCLSA-N -2 3 342.373 1.825 20 5 EDBDHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000548190571 320866830 /nfs/dbraw/zinc/86/68/30/320866830.db2.gz TXYHTLURUOKHBT-UHFFFAOYSA-N -2 3 331.284 1.375 20 5 EDBDHL CCC[C@H](C[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-])OC ZINC000578074469 321718463 /nfs/dbraw/zinc/71/84/63/321718463.db2.gz VPXSUROLXHKAST-SECBINFHSA-N -2 3 346.361 1.386 20 5 EDBDHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000823363485 594192661 /nfs/dbraw/zinc/19/26/61/594192661.db2.gz FWBMOSNIKPVKRS-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000823363485 594192663 /nfs/dbraw/zinc/19/26/63/594192663.db2.gz FWBMOSNIKPVKRS-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C([O-])N[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000834151293 595031153 /nfs/dbraw/zinc/03/11/53/595031153.db2.gz SHXMJNCWZMMUNH-SNVBAGLBSA-N -2 3 347.324 1.058 20 5 EDBDHL O=C([O-])C1=CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000853068756 595654180 /nfs/dbraw/zinc/65/41/80/595654180.db2.gz GIIWQAKTUUECTH-QMMMGPOBSA-N -2 3 330.293 1.186 20 5 EDBDHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)NC(=O)[O-] ZINC000738795953 602788822 /nfs/dbraw/zinc/78/88/22/602788822.db2.gz ZGUICQODWFLERZ-SNVBAGLBSA-N -2 3 349.340 1.304 20 5 EDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000565060861 306373863 /nfs/dbraw/zinc/37/38/63/306373863.db2.gz PJZQTQCDSVMGAP-JTQLQIEISA-N -2 3 340.357 1.928 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000274977031 268254728 /nfs/dbraw/zinc/25/47/28/268254728.db2.gz LBDNVNOYQGBAMF-VIFPVBQESA-N -2 3 346.361 1.383 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c([N+](=O)[O-])c1 ZINC000270479367 295198251 /nfs/dbraw/zinc/19/82/51/295198251.db2.gz KKPYSIIJDZLGAV-UHFFFAOYSA-N -2 3 344.345 1.279 20 5 EDBDHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186189979 442482182 /nfs/dbraw/zinc/48/21/82/442482182.db2.gz HKUQGWNQYDNJSA-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186189979 442482184 /nfs/dbraw/zinc/48/21/84/442482184.db2.gz HKUQGWNQYDNJSA-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL CC(C)OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414317383 319324131 /nfs/dbraw/zinc/32/41/31/319324131.db2.gz JZCASQPCGQFAPK-UHFFFAOYSA-N -2 3 346.361 1.386 20 5 EDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c([N+](=O)[O-])c1 ZINC000565541607 321190572 /nfs/dbraw/zinc/19/05/72/321190572.db2.gz SZYGHIZWODIDEL-BDAKNGLRSA-N -2 3 332.309 1.462 20 5 EDBDHL C[C@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000317136360 444313895 /nfs/dbraw/zinc/31/38/95/444313895.db2.gz UVNKPXOPSQKJKL-YPMHNXCESA-N -2 3 328.346 1.517 20 5 EDBDHL CCCC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000361997127 446138542 /nfs/dbraw/zinc/13/85/42/446138542.db2.gz RTRCOQMSKXMPJK-QMMMGPOBSA-N -2 3 336.391 1.886 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000567369397 448678190 /nfs/dbraw/zinc/67/81/90/448678190.db2.gz FOPUMHGPONUZFV-KBUNVGBDSA-N -2 3 348.402 1.742 20 5 EDBDHL CCC[C@H]([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000778313571 580461697 /nfs/dbraw/zinc/46/16/97/580461697.db2.gz JPPMBPJLNCIKHK-JTQLQIEISA-N -2 3 340.290 1.857 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000275060060 268272798 /nfs/dbraw/zinc/27/27/98/268272798.db2.gz URDDJLGINWZMNO-SECBINFHSA-N -2 3 346.361 1.383 20 5 EDBDHL COc1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000224259312 443097727 /nfs/dbraw/zinc/09/77/27/443097727.db2.gz AHHSBYYQLOAJOS-UHFFFAOYSA-N -2 3 346.361 1.527 20 5 EDBDHL CC(C)OCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000584117136 326203563 /nfs/dbraw/zinc/20/35/63/326203563.db2.gz WMTYKLKUSQRZJR-UHFFFAOYSA-N -2 3 346.361 1.386 20 5 EDBDHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000442698003 446937336 /nfs/dbraw/zinc/93/73/36/446937336.db2.gz BRLOBYDIPVCOTG-UHFFFAOYSA-N -2 3 343.255 1.291 20 5 EDBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000261671516 535979875 /nfs/dbraw/zinc/97/98/75/535979875.db2.gz HFQFCWPJQRHWGJ-SDBXPKJASA-N -2 3 344.389 1.989 20 5 EDBDHL O=C([O-])NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000740651596 579374733 /nfs/dbraw/zinc/37/47/33/579374733.db2.gz FRLHOZBUTGMWJP-UHFFFAOYSA-N -2 3 337.741 1.184 20 5 EDBDHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000826450884 594480543 /nfs/dbraw/zinc/48/05/43/594480543.db2.gz HSPZHCMIQDNWNL-UHFFFAOYSA-N -2 3 344.262 1.872 20 5 EDBDHL Cc1cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])cc([N+](=O)[O-])c1F ZINC000848680716 595427773 /nfs/dbraw/zinc/42/77/73/595427773.db2.gz MATTVTYUSHTMDB-QMMMGPOBSA-N -2 3 338.288 1.133 20 5 EDBDHL O=C([O-])C1=CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000853067772 595653366 /nfs/dbraw/zinc/65/33/66/595653366.db2.gz GQWQHHSYBLIYSK-MRVPVSSYSA-N -2 3 346.748 1.700 20 5 EDBDHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000261848079 534935992 /nfs/dbraw/zinc/93/59/92/534935992.db2.gz DDXYWPVLVACDMF-SNVBAGLBSA-N -2 3 334.325 1.656 20 5 EDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000261722197 296139000 /nfs/dbraw/zinc/13/90/00/296139000.db2.gz RFGDSDWHOZNPPZ-RXMQYKEDSA-N -2 3 342.251 1.365 20 5 EDBDHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000414314324 250842676 /nfs/dbraw/zinc/84/26/76/250842676.db2.gz CZZFXFMWJNNWLG-KWQFWETISA-N -2 3 344.345 1.139 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1C ZINC000275080708 268277298 /nfs/dbraw/zinc/27/72/98/268277298.db2.gz YNIYWFQPCHCFMG-NSHDSACASA-N -2 3 344.389 1.989 20 5 EDBDHL C[C@]1(C(=O)[O-])CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000317136351 303764016 /nfs/dbraw/zinc/76/40/16/303764016.db2.gz UVNKPXOPSQKJKL-AAEUAGOBSA-N -2 3 328.346 1.517 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000548550977 306131415 /nfs/dbraw/zinc/13/14/15/306131415.db2.gz WMXJDIIEJBELJB-SSDOTTSWSA-N -2 3 336.391 1.744 20 5 EDBDHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000133162089 442408265 /nfs/dbraw/zinc/40/82/65/442408265.db2.gz PUCDATGYYLPXFI-RNFRBKRXSA-N -2 3 336.753 1.636 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)c([N+](=O)[O-])c1 ZINC000567809491 321259798 /nfs/dbraw/zinc/25/97/98/321259798.db2.gz WDVJPHREPWZONW-GFCCVEGCSA-N -2 3 346.386 1.142 20 5 EDBDHL CCC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000319554944 444324536 /nfs/dbraw/zinc/32/45/36/444324536.db2.gz OGAJIVFBIMJFSK-CYBMUJFWSA-N -2 3 346.361 1.525 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c1[N+](=O)[O-] ZINC000581166510 322143036 /nfs/dbraw/zinc/14/30/36/322143036.db2.gz HWSAPQULZLHEQG-LLVKDONJSA-N -2 3 342.373 1.743 20 5 EDBDHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CS1 ZINC000576996904 448189065 /nfs/dbraw/zinc/18/90/65/448189065.db2.gz MVNHGPZWUGHPHO-VXNVDRBHSA-N -2 3 346.386 1.465 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000593273677 449201235 /nfs/dbraw/zinc/20/12/35/449201235.db2.gz LNLAWCHQGLVXHG-JTQLQIEISA-N -2 3 342.373 1.743 20 5 EDBDHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534684 449327021 /nfs/dbraw/zinc/32/70/21/449327021.db2.gz NTLDIFMCRBQFMU-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534684 449327023 /nfs/dbraw/zinc/32/70/23/449327023.db2.gz NTLDIFMCRBQFMU-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534684 449327027 /nfs/dbraw/zinc/32/70/27/449327027.db2.gz NTLDIFMCRBQFMU-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000740513498 579355407 /nfs/dbraw/zinc/35/54/07/579355407.db2.gz VLAOIBBDMDBXHF-SNVBAGLBSA-N -2 3 343.361 1.263 20 5 EDBDHL COc1cc(C=Cc2nccc(=O)[n-]2)c([N+](=O)[O-])cc1OCC(=O)[O-] ZINC000764436874 580119877 /nfs/dbraw/zinc/11/98/77/580119877.db2.gz WETCJHKAILBSEQ-NSCUHMNNSA-N -2 3 347.283 1.733 20 5 EDBDHL O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000823294705 594181352 /nfs/dbraw/zinc/18/13/52/594181352.db2.gz NRPRQYDCOKNPFJ-UHFFFAOYSA-N -2 3 342.271 1.438 20 5 EDBDHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc([O-])cc([N+](=O)[O-])c1 ZINC000823294705 594181354 /nfs/dbraw/zinc/18/13/54/594181354.db2.gz NRPRQYDCOKNPFJ-UHFFFAOYSA-N -3 3 342.271 1.438 20 5 EDBDHL O=C(Nc1cc(-c2nn[n-]n2)ccc1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000826451210 594481341 /nfs/dbraw/zinc/48/13/41/594481341.db2.gz VWQOFYFLXCTRHZ-UHFFFAOYSA-N -2 3 344.262 1.872 20 5 EDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853068915 595654494 /nfs/dbraw/zinc/65/44/94/595654494.db2.gz JCPZXOFHOHCGTL-SECBINFHSA-N -2 3 342.329 1.055 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000414324212 304106204 /nfs/dbraw/zinc/10/62/04/304106204.db2.gz KGWZTXMFAJAGSS-BDAKNGLRSA-N -2 3 332.309 1.462 20 5 EDBDHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000274917517 268238265 /nfs/dbraw/zinc/23/82/65/268238265.db2.gz AGCMDHXOFLRAPA-LLVKDONJSA-N -2 3 330.362 1.763 20 5 EDBDHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000274919741 268238562 /nfs/dbraw/zinc/23/85/62/268238562.db2.gz AQOMNNHFPYEKDW-SFYZADRCSA-N -2 3 346.748 1.556 20 5 EDBDHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000390082301 325730071 /nfs/dbraw/zinc/73/00/71/325730071.db2.gz SLIRNBRXNVXMDH-MRVPVSSYSA-N -2 3 342.251 1.279 20 5 EDBDHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354084379 445892934 /nfs/dbraw/zinc/89/29/34/445892934.db2.gz QZQNSAFZAHSHKA-UHFFFAOYSA-N -2 3 340.299 1.657 20 5 EDBDHL O=C(Nc1ccc(Cc2nn[n-]n2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354084379 445892937 /nfs/dbraw/zinc/89/29/37/445892937.db2.gz QZQNSAFZAHSHKA-UHFFFAOYSA-N -2 3 340.299 1.657 20 5 EDBDHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000566183408 448408484 /nfs/dbraw/zinc/40/84/84/448408484.db2.gz DLZMNDTVPUZINQ-ZDUSSCGKSA-N -2 3 330.362 1.763 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)cc1[N+](=O)[O-] ZINC000596026446 449323978 /nfs/dbraw/zinc/32/39/78/449323978.db2.gz KAPZJRLXIGNIGG-SECBINFHSA-N -2 3 348.402 1.744 20 5 EDBDHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ncccc2[O-])c(F)c1 ZINC000360010957 151885436 /nfs/dbraw/zinc/88/54/36/151885436.db2.gz KNCLZRBZTHTHIN-UHFFFAOYSA-N -2 3 327.293 1.313 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000298870137 318855228 /nfs/dbraw/zinc/85/52/28/318855228.db2.gz UBBJOCPQVWGEPE-UHFFFAOYSA-N -2 3 330.362 1.827 20 5 EDBDHL C/C=C\C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC)C(=O)[O-] ZINC000581010125 322124319 /nfs/dbraw/zinc/12/43/19/322124319.db2.gz YNULSDGQZYGERV-XOULXFPDSA-N -2 3 344.345 1.301 20 5 EDBDHL CS(=O)(=O)c1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000354732449 445355316 /nfs/dbraw/zinc/35/53/16/445355316.db2.gz SEYMMBSMAOYEQG-UHFFFAOYSA-N -2 3 345.724 1.022 20 5 EDBDHL O=c1nc(C=Cc2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000352025644 445446872 /nfs/dbraw/zinc/44/68/72/445446872.db2.gz FPBFTRXUJBQOQW-UTCJRWHESA-N -2 3 326.272 1.547 20 5 EDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000584842438 448653423 /nfs/dbraw/zinc/65/34/23/448653423.db2.gz RZDQDDGPMAOSQW-VIFPVBQESA-N -2 3 326.330 1.371 20 5 EDBDHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000548213728 449006230 /nfs/dbraw/zinc/00/62/30/449006230.db2.gz HMSOYMAFOIHELO-SNVBAGLBSA-N -2 3 330.362 1.907 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C1CC1 ZINC000594720589 449647428 /nfs/dbraw/zinc/64/74/28/449647428.db2.gz QQGAWFDCKOZLIR-LLVKDONJSA-N -2 3 342.373 1.682 20 5 EDBDHL O=C([O-])N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000740508518 579354857 /nfs/dbraw/zinc/35/48/57/579354857.db2.gz YTSZBJZWWHNPLL-ZETCQYMHSA-N -2 3 349.752 1.279 20 5 EDBDHL O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000753976615 579892665 /nfs/dbraw/zinc/89/26/65/579892665.db2.gz QGDVWMQGWQYWQO-UHFFFAOYSA-N -2 3 327.252 1.436 20 5 EDBDHL COc1ccc([O-])c(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])c1 ZINC000775677023 580396963 /nfs/dbraw/zinc/39/69/63/580396963.db2.gz QTKRHJLBRPXCAQ-UHFFFAOYSA-N -2 3 340.317 1.009 20 5 EDBDHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000823246373 594175191 /nfs/dbraw/zinc/17/51/91/594175191.db2.gz MZDMZKQPJDXXMU-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000823246373 594175192 /nfs/dbraw/zinc/17/51/92/594175192.db2.gz MZDMZKQPJDXXMU-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000274917520 268238066 /nfs/dbraw/zinc/23/80/66/268238066.db2.gz AGCMDHXOFLRAPA-NSHDSACASA-N -2 3 330.362 1.763 20 5 EDBDHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000275271245 268311621 /nfs/dbraw/zinc/31/16/21/268311621.db2.gz QMTYFOSEGMNJMZ-MRVPVSSYSA-N -2 3 348.352 1.902 20 5 EDBDHL O=C(NCc1nnc(C(F)(F)F)[n-]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436560969 305160825 /nfs/dbraw/zinc/16/08/25/305160825.db2.gz ADRNFCRFRJLDAC-UHFFFAOYSA-N -2 3 331.210 1.367 20 5 EDBDHL O=C(NCc1n[n-]c(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436560969 305160826 /nfs/dbraw/zinc/16/08/26/305160826.db2.gz ADRNFCRFRJLDAC-UHFFFAOYSA-N -2 3 331.210 1.367 20 5 EDBDHL O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436560969 305160827 /nfs/dbraw/zinc/16/08/27/305160827.db2.gz ADRNFCRFRJLDAC-UHFFFAOYSA-N -2 3 331.210 1.367 20 5 EDBDHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000563231213 321102575 /nfs/dbraw/zinc/10/25/75/321102575.db2.gz CYQKAVQTAIKKAH-QWRGUYRKSA-N -2 3 340.357 1.617 20 5 EDBDHL CO[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000580781495 322095220 /nfs/dbraw/zinc/09/52/20/322095220.db2.gz RYNLZJBGXSABFA-LLVKDONJSA-N -2 3 346.361 1.242 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000391237710 325734932 /nfs/dbraw/zinc/73/49/32/325734932.db2.gz AIOPFZZAFVFTEG-UHFFFAOYSA-N -2 3 340.313 1.673 20 5 EDBDHL O=C([N-]c1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl)c1ncccn1 ZINC000826451016 594480852 /nfs/dbraw/zinc/48/08/52/594480852.db2.gz MJGDFCFZMSNHKM-UHFFFAOYSA-N -2 3 346.694 1.471 20 5 EDBDHL CSC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844886965 595407869 /nfs/dbraw/zinc/40/78/69/595407869.db2.gz YEXQZJCIOGSBJF-UHFFFAOYSA-N -2 3 348.402 1.713 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000340452923 301687827 /nfs/dbraw/zinc/68/78/27/301687827.db2.gz WNPXCEMFOJJGNY-UHFFFAOYSA-N -2 3 330.362 1.825 20 5 EDBDHL CC[C@H](CC[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000297255669 303378863 /nfs/dbraw/zinc/37/88/63/303378863.db2.gz RCYPRBSHTSMMGS-LLVKDONJSA-N -2 3 344.389 1.991 20 5 EDBDHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-])C1CC1 ZINC000548990282 306143385 /nfs/dbraw/zinc/14/33/85/306143385.db2.gz FMULZPMNULLJIM-MADCSZMMSA-N -2 3 346.336 1.512 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000556775102 306217489 /nfs/dbraw/zinc/21/74/89/306217489.db2.gz QWUVOTLHWIEXMX-QMMMGPOBSA-N -2 3 334.375 1.496 20 5 EDBDHL O=C([O-])c1c([N-]S(=O)(=O)CC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000296997294 318741843 /nfs/dbraw/zinc/74/18/43/318741843.db2.gz QRGBAWMEDNNGRV-SECBINFHSA-N -2 3 344.345 1.461 20 5 EDBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000262005504 443179135 /nfs/dbraw/zinc/17/91/35/443179135.db2.gz VSDJQYQFWFYFCM-KWQFWETISA-N -2 3 330.362 1.681 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000277308401 443960060 /nfs/dbraw/zinc/96/00/60/443960060.db2.gz SOOVYZSZHAAONW-NSHDSACASA-N -2 3 344.389 1.991 20 5 EDBDHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000567464533 321242311 /nfs/dbraw/zinc/24/23/11/321242311.db2.gz XDVAHUZQPWSWLD-FKQCQYRASA-N -2 3 334.737 1.390 20 5 EDBDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2O)c1 ZINC000342784962 444865579 /nfs/dbraw/zinc/86/55/79/444865579.db2.gz XHMUJGZRPITPLG-UHFFFAOYSA-N -2 3 340.313 1.815 20 5 EDBDHL O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc([O-])c2)c1 ZINC000342810888 444876275 /nfs/dbraw/zinc/87/62/75/444876275.db2.gz XRQQWRPTJPTITR-UHFFFAOYSA-N -3 3 338.297 1.799 20 5 EDBDHL CO[C@@H](C)c1nc(=NC(=O)c2[n-]nc3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000338918293 444931248 /nfs/dbraw/zinc/93/12/48/444931248.db2.gz FDHQORLOMXSDNX-LURJTMIESA-N -2 3 348.344 1.704 20 5 EDBDHL CO[C@@H](C)c1nc(=NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)s[n-]1 ZINC000338918293 444931252 /nfs/dbraw/zinc/93/12/52/444931252.db2.gz FDHQORLOMXSDNX-LURJTMIESA-N -2 3 348.344 1.704 20 5 EDBDHL CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000583298189 326043138 /nfs/dbraw/zinc/04/31/38/326043138.db2.gz HJOZFSGMGFOWGO-JTQLQIEISA-N -2 3 330.362 1.682 20 5 EDBDHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000362276384 446300691 /nfs/dbraw/zinc/30/06/91/446300691.db2.gz GIBARWIJUCCSJJ-QUBYGPBYSA-N -2 3 336.391 1.742 20 5 EDBDHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000515063638 448253654 /nfs/dbraw/zinc/25/36/54/448253654.db2.gz CKLIWKVJRYTPDT-WCBMZHEXSA-N -2 3 344.345 1.139 20 5 EDBDHL CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568398910 448868461 /nfs/dbraw/zinc/86/84/61/448868461.db2.gz RQCUZXNAWJYTLA-ZETCQYMHSA-N -2 3 334.375 1.323 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000593275231 449201730 /nfs/dbraw/zinc/20/17/30/449201730.db2.gz VXFMKBMMDZYOIB-MRVPVSSYSA-N -2 3 344.345 1.135 20 5 EDBDHL O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000596090714 449358219 /nfs/dbraw/zinc/35/82/19/449358219.db2.gz TXQDNNAMVPBWHP-FIDNZITISA-N -2 3 340.357 1.372 20 5 EDBDHL O=C([O-])c1c[nH]c(=O)c([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])c1 ZINC000740069273 579286740 /nfs/dbraw/zinc/28/67/40/579286740.db2.gz SOLLSQUXOIFXOG-UHFFFAOYSA-N -2 3 339.210 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/nfs/dbraw/zinc/45/28/44/580452844.db2.gz GACBKQTUWURGNG-SSDOTTSWSA-N -2 3 336.391 1.824 20 5 EDBDHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000776562243 580420739 /nfs/dbraw/zinc/42/07/39/580420739.db2.gz WPEZYHOIQKHSQX-MRVPVSSYSA-N -2 3 336.391 1.968 20 5 EDBDHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000823363588 594192688 /nfs/dbraw/zinc/19/26/88/594192688.db2.gz HMUAZZTWSIZIJQ-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000823363588 594192689 /nfs/dbraw/zinc/19/26/89/594192689.db2.gz HMUAZZTWSIZIJQ-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL Cc1cc(Cl)c(S(=O)(=O)[N-]CCNC(=O)[O-])cc1[N+](=O)[O-] ZINC000830043957 594323500 /nfs/dbraw/zinc/32/35/00/594323500.db2.gz BLPXZZXZNLVKRA-UHFFFAOYSA-N -2 3 337.741 1.103 20 5 EDBDHL CSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000844886260 595407785 /nfs/dbraw/zinc/40/77/85/595407785.db2.gz PSUGRIUQJREHHY-MRVPVSSYSA-N -2 3 348.402 1.713 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000567369398 306449455 /nfs/dbraw/zinc/44/94/55/306449455.db2.gz FOPUMHGPONUZFV-KGFZYKRKSA-N -2 3 348.402 1.742 20 5 EDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCCSC2)c1[N+](=O)[O-] ZINC000568398313 306480882 /nfs/dbraw/zinc/48/08/82/306480882.db2.gz CBTRNSARXGAZKT-QMMMGPOBSA-N -2 3 346.386 1.467 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000275016346 268264356 /nfs/dbraw/zinc/26/43/56/268264356.db2.gz NZXVBSGCAVPNCE-VIFPVBQESA-N -2 3 346.361 1.383 20 5 EDBDHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000359144390 301689293 /nfs/dbraw/zinc/68/92/93/301689293.db2.gz OPQDRHBZQBMNIF-LLVKDONJSA-N -2 3 344.389 1.928 20 5 EDBDHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-])C(=O)[O-] ZINC000514670900 305701742 /nfs/dbraw/zinc/70/17/42/305701742.db2.gz LULOKILDAWSZNK-HMDXOVGESA-N -2 3 344.345 1.301 20 5 EDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1[N+](=O)[O-] ZINC000574210119 321476299 /nfs/dbraw/zinc/47/62/99/321476299.db2.gz FEDYIZKCPLEGBI-BDAKNGLRSA-N -2 3 332.309 1.462 20 5 EDBDHL CC[C@@H](CC[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-])C(=O)[O-] ZINC000297159567 444276573 /nfs/dbraw/zinc/27/65/73/444276573.db2.gz JQVFSNOFJCDYIA-NSHDSACASA-N -2 3 344.389 1.991 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])cc1C ZINC000388501969 447478747 /nfs/dbraw/zinc/47/87/47/447478747.db2.gz GBYUKANLBRSYBC-VHSXEESVSA-N -2 3 330.362 1.599 20 5 EDBDHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000399319532 447563259 /nfs/dbraw/zinc/56/32/59/447563259.db2.gz PPKHXDTXIAJNBF-LLVKDONJSA-N -2 3 348.764 1.780 20 5 EDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000399319524 447564128 /nfs/dbraw/zinc/56/41/28/447564128.db2.gz POTBXXBCEUYJCS-GFCCVEGCSA-N -2 3 344.345 1.135 20 5 EDBDHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000517029193 448527480 /nfs/dbraw/zinc/52/74/80/448527480.db2.gz YXWQQVNIBLSXNU-UMBAGQNISA-N -2 3 328.346 1.601 20 5 EDBDHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000740521697 579356566 /nfs/dbraw/zinc/35/65/66/579356566.db2.gz ULTFXMHQAJCYDK-VIFPVBQESA-N -2 3 329.334 1.016 20 5 EDBDHL O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncccc1[O-] ZINC000795246287 580916705 /nfs/dbraw/zinc/91/67/05/580916705.db2.gz PHTFKZNYMFSRAG-UHFFFAOYSA-N -2 3 343.748 1.827 20 5 EDBDHL Nc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(-c2nn[n-]n2)ccc1[O-] ZINC000826396367 594458886 /nfs/dbraw/zinc/45/88/86/594458886.db2.gz UQCSYGSUSUATNE-UHFFFAOYSA-N -2 3 341.287 1.315 20 5 EDBDHL O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826442601 594479236 /nfs/dbraw/zinc/47/92/36/594479236.db2.gz CQLZBIBUIQRWMK-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826442601 594479238 /nfs/dbraw/zinc/47/92/38/594479238.db2.gz CQLZBIBUIQRWMK-UHFFFAOYSA-N -2 3 340.299 1.411 20 5 EDBDHL Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c1[N+](=O)[O-] ZINC000262414366 139277425 /nfs/dbraw/zinc/27/74/25/139277425.db2.gz TUQXIUXSKDTCBV-NSHDSACASA-N -2 3 344.389 1.989 20 5 EDBDHL CSCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275024996 268266733 /nfs/dbraw/zinc/26/67/33/268266733.db2.gz DVARQKKUIAKTER-SECBINFHSA-N -2 3 348.402 1.388 20 5 EDBDHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000548588756 306132305 /nfs/dbraw/zinc/13/23/05/306132305.db2.gz UCMGXIFHBKRIJB-NSHDSACASA-N -2 3 342.354 1.761 20 5 EDBDHL Cc1ncc(C[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000048772213 441331849 /nfs/dbraw/zinc/33/18/49/441331849.db2.gz SJIHMJZUNAASGN-UHFFFAOYSA-N -2 3 329.359 1.544 20 5 EDBDHL CSCCC[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576760874 321594269 /nfs/dbraw/zinc/59/42/69/321594269.db2.gz ZDDYWDPYOQBOAX-UHFFFAOYSA-N -2 3 334.375 1.324 20 5 EDBDHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1ccc([N+](=O)[O-])cn1 ZINC000366259705 446112619 /nfs/dbraw/zinc/11/26/19/446112619.db2.gz NYHPKFIIIHJMIK-UHFFFAOYSA-N -2 3 346.253 2.305 20 5 EDBDHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)C(=O)[O-] ZINC000362276387 446300438 /nfs/dbraw/zinc/30/04/38/446300438.db2.gz GIBARWIJUCCSJJ-WKEGUHRASA-N -2 3 336.391 1.742 20 5 EDBDHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000167003360 534483271 /nfs/dbraw/zinc/48/32/71/534483271.db2.gz FZJBTKZMZIMILM-UHFFFAOYSA-N -2 3 334.737 1.391 20 5 EDBDHL CCCc1[nH]nc(C(=O)[N-]c2nc(CC(=O)[O-])cs2)c1[N+](=O)[O-] ZINC000737043015 579042999 /nfs/dbraw/zinc/04/29/99/579042999.db2.gz XQILFBMJKGCMCF-UHFFFAOYSA-N -2 3 339.333 1.606 20 5 EDBDHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367996509 304000483 /nfs/dbraw/zinc/00/04/83/304000483.db2.gz BZPQXXJOCOCQKD-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000367996509 304000486 /nfs/dbraw/zinc/00/04/86/304000486.db2.gz BZPQXXJOCOCQKD-UHFFFAOYSA-N -2 3 326.272 1.733 20 5 EDBDHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000275149750 268287708 /nfs/dbraw/zinc/28/77/08/268287708.db2.gz YGWXGEQAVISHDQ-JTQLQIEISA-N -2 3 334.325 1.512 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000261820484 302047065 /nfs/dbraw/zinc/04/70/65/302047065.db2.gz WPZLSVRWCVBIHI-NSHDSACASA-N -2 3 344.389 1.928 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000362001970 446143797 /nfs/dbraw/zinc/14/37/97/446143797.db2.gz QDDBOYRWZQKADH-QMMMGPOBSA-N -2 3 336.391 1.742 20 5 EDBDHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000739927129 578372246 /nfs/dbraw/zinc/37/22/46/578372246.db2.gz BTZUFMAHRBPZCR-SECBINFHSA-N -2 3 329.334 1.016 20 5 EDBDHL Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC000769047510 580226362 /nfs/dbraw/zinc/22/63/62/580226362.db2.gz ODRPCRHJPXRHFE-QMMMGPOBSA-N -2 3 335.272 1.781 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853067625 595652769 /nfs/dbraw/zinc/65/27/69/595652769.db2.gz BOIWKXUTRIOUKN-SECBINFHSA-N -2 3 342.329 1.055 20 5 EDBDHL Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])cc1C ZINC000275029985 268268485 /nfs/dbraw/zinc/26/84/85/268268485.db2.gz PWUDWOROVDSKHE-JTQLQIEISA-N -2 3 330.362 1.743 20 5 EDBDHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000275049854 268270896 /nfs/dbraw/zinc/27/08/96/268270896.db2.gz SGQJQFLXGOULOW-SNVBAGLBSA-N -2 3 334.325 1.512 20 5 EDBDHL C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)NC(=O)[N-]C1=O ZINC000342936931 444953955 /nfs/dbraw/zinc/95/39/55/444953955.db2.gz OQMWNDOKOWEQPC-OAHLLOKOSA-N -2 3 343.299 1.230 20 5 EDBDHL Cc1nc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[n-]c(=O)c1CC(=O)[O-] ZINC000349113665 445511423 /nfs/dbraw/zinc/51/14/23/445511423.db2.gz SNMGPMACCVJEEP-DJWKRKHSSA-N -3 3 331.284 1.902 20 5 EDBDHL Cc1sc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000361989169 446132544 /nfs/dbraw/zinc/13/25/44/446132544.db2.gz XCVYVFMDVSXWSA-UHFFFAOYSA-N -2 3 348.402 1.886 20 5 EDBDHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000576112532 447976610 /nfs/dbraw/zinc/97/66/10/447976610.db2.gz LDNJDMJPRBGWDY-PSASIEDQSA-N -2 3 328.346 1.760 20 5 EDBDHL CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000566315999 448444225 /nfs/dbraw/zinc/44/42/25/448444225.db2.gz HIXVYNRBWJTYDQ-QWRGUYRKSA-N -2 3 342.373 1.863 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C1CCC1 ZINC000596025826 449324130 /nfs/dbraw/zinc/32/41/30/449324130.db2.gz BEXLGLLOXXZWNQ-LLVKDONJSA-N -2 3 342.373 1.682 20 5 EDBDHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000619750630 450326248 /nfs/dbraw/zinc/32/62/48/450326248.db2.gz IFSSICRHPBYYNZ-QPUJVOFHSA-N -2 3 328.346 1.372 20 5 EDBDHL Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000013195110 591053483 /nfs/dbraw/zinc/05/34/83/591053483.db2.gz XGTHKOGBZBMHIS-UHFFFAOYSA-N -2 3 337.313 1.676 20 5 EDBDHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000828679241 594478400 /nfs/dbraw/zinc/47/84/00/594478400.db2.gz YEXXMYHMVWGACP-CYBMUJFWSA-N -2 3 346.361 1.525 20 5 EDBDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)c1C ZINC000853068526 595653444 /nfs/dbraw/zinc/65/34/44/595653444.db2.gz BYFRIYDZHAQCQF-NSHDSACASA-N -2 3 340.357 1.663 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c1 ZINC000414337770 304108284 /nfs/dbraw/zinc/10/82/84/304108284.db2.gz IEVSSKKHAZJUTB-RKDXNWHRSA-N -2 3 332.309 1.462 20 5 EDBDHL Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000274938307 268244219 /nfs/dbraw/zinc/24/42/19/268244219.db2.gz FVFTUUSGDYLRSJ-SNVBAGLBSA-N -2 3 330.362 1.682 20 5 EDBDHL COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000275034401 268269037 /nfs/dbraw/zinc/26/90/37/268269037.db2.gz QHWZCVPEKBIEBQ-JTQLQIEISA-N -2 3 346.361 1.239 20 5 EDBDHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000275271248 268311680 /nfs/dbraw/zinc/31/16/80/268311680.db2.gz QMTYFOSEGMNJMZ-QMMMGPOBSA-N -2 3 348.352 1.902 20 5 EDBDHL COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-] ZINC000284932170 274391957 /nfs/dbraw/zinc/39/19/57/274391957.db2.gz CKGDYGBLGPGFHK-JTQLQIEISA-N -2 3 344.345 1.135 20 5 EDBDHL CN(CC1CC1)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000548524510 306130401 /nfs/dbraw/zinc/13/04/01/306130401.db2.gz QRCXLRNEGNRKBT-UHFFFAOYSA-N -2 3 329.334 1.292 20 5 EDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000566317124 321226686 /nfs/dbraw/zinc/22/66/86/321226686.db2.gz WYSBJBMICSDOQB-JTQLQIEISA-N -2 3 340.357 1.928 20 5 EDBDHL 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ZINC000823111828 594154910 /nfs/dbraw/zinc/15/49/10/594154910.db2.gz ORPUXBIQWBIIHO-UHFFFAOYSA-N -2 3 340.299 1.662 20 5 EDBDHL O=C([N-]C[C@@H]1CCCN(c2cc[n-]c(=O)c2[N+](=O)[O-])C1)C(F)(F)F ZINC000853637294 595842167 /nfs/dbraw/zinc/84/21/67/595842167.db2.gz QBYYLQLTOBAUAI-QMMMGPOBSA-N -2 3 348.281 1.590 20 5 EDBDHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c1[N+](=O)[O-] ZINC000565060774 306373915 /nfs/dbraw/zinc/37/39/15/306373915.db2.gz MOJDFAOOJQAGNK-SECBINFHSA-N -2 3 344.345 1.140 20 5 EDBDHL CCCCN(C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000274879320 201272411 /nfs/dbraw/zinc/27/24/11/201272411.db2.gz CICNYINLLBEGMY-UHFFFAOYSA-N -2 3 331.350 1.682 20 5 EDBDHL COCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000414341743 304108419 /nfs/dbraw/zinc/10/84/19/304108419.db2.gz LOEJWUOANZTBPC-UHFFFAOYSA-N -2 3 346.361 1.244 20 5 EDBDHL O=C([O-])c1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCSC2)c1 ZINC000414314226 304251155 /nfs/dbraw/zinc/25/11/55/304251155.db2.gz 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